PERIODIC_GRAPH ID sqc7572 EDGES 1 2 0 0 0 1 2 0 1 0 1 3 0 0 0 1 3 1 0 0 1 4 0 0 0 1 5 0 0 0 2 4 0 -1 0 2 6 0 0 0 2 6 0 0 1 2 7 0 0 0 3 5 -1 0 0 3 6 -1 1 0 3 6 0 0 1 3 8 0 0 0 4 9 0 0 0 4 10 0 0 0 5 9 1 -1 1 5 11 0 0 0 6 7 0 0 0 6 8 1 -1 0 7 10 1 -1 0 7 12 0 0 0 8 11 -1 0 -1 8 12 -1 0 0 9 10 0 0 -1 9 10 0 0 0 9 11 -1 0 -1 9 11 -1 1 -1 10 12 -1 1 0 10 12 0 0 1 11 12 0 0 1 11 12 1 0 1 END CRYSTAL ID sqc7572_maximal GROUP I-42d CELL 2.91903 2.91903 2.81729 90.0 90.0 90.0 ATOM 1 4 0.25 0.4 0.375 2 6 0.025 0.275 0.35 EDGE 0.025 0.275 0.35 0.25 0.4 0.375 0.025 0.275 0.35 0.275 -0.025 0.65 0.025 0.275 0.35 0.225 0.525 0.15 0.025 0.275 0.35 -0.1 0.25 0.125 END CRYSTAL ID sqc7572_relaxed GROUP I-42d CELL 1.82704 1.82704 2.88907 90.0 90.0 90.0 ATOM 1 4 0.29772 0.25 0.125 2 6 0.17833 0.01647 0.15365 EDGE 0.17833 0.01647 0.15365 -0.29772 -0.25 0.125 0.17833 0.01647 0.15365 0.48353 -0.32167 0.34635 0.17833 0.01647 0.15365 0.01647 -0.17833 -0.15365 0.17833 0.01647 0.15365 0.25 -0.29772 -0.125 END